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Photochemistry in Molecular Clusters
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Photochemistry in Molecular Clusters

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Physical Chemistry and Chemical Physics".

Deadline for manuscript submissions: closed (30 August 2024) | Viewed by 3442

Special Issue Editor

Dr. Attila Bende

E-Mail Website
Guest Editor
National Institute for Research and Development of Isotopic and Molecular Technologies, Donat Street, No. 67-103, 400283 Cluj-Napoca, Romania
Interests: intermolecular interactions; self-assembled supramolecular systems; laser-molecule interaction; molecular excited states; biopolymers
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The photochemistry of single-molecule systems is already a well-established field of research, where both experimental methods based on laser spectroscopy and theoretical methods derived from advanced quantum chemical models provide exhaustive descriptions of photochemical phenomena. At the same time, much less is known about the photochemistry of systems where multiple molecules in cluster or aggregate forms are collectively involved in the light-induced electronic excitation and relaxation processes. Phenomena such as thermally activated delayed fluorescence, formation of excimer or exciplex structures, light-induced charge transfer in donor–acceptor complexes, fluorescence resonance energy transfer, and triplet–triplet annihilation upconversion still require specially designed experimental setups and a carefully established theoretical methodology, and involve entities with multi-molecular characters.

This Special Issue is intended to provide a common platform for experimental and modelling science in order to obtain a more comprehensive picture of these photochemical processes. Both original research articles and reviews in the fields of photochemistry, laser spectroscopy, light-induced molecular processes, molecular self-assembly, and photochemistry of molecular ensembles adsorbed on a surface or interface are highly welcome.

Dr. Attila Bende
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

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Keywords

  • photochemistry
  • fluorescence
  • phosphorescence
  • laser spectroscopy
  • electronic excited states
  • excited state relaxation
  • time-dependent density functional theory
  • molecular switches

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Published Papers (2 papers)

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Research

14 pages, 4803 KiB  
Article
Nature of Charge Transfer Effects in Complexes of Dopamine Derivatives Adsorbed on Graphene-Type Nanostructures
by Alex-Adrian Farcaş and Attila Bende
Int. J. Mol. Sci. 2024, 25(19), 10522; https://doi.org/10.3390/ijms251910522 - 29 Sep 2024
Viewed by 1042
Abstract
Continuing the investigation started for dopamine (DA) and dopamine-o-quinone (DoQ) (see, the light absorption and charge transfer properties of the dopamine zwitterion (called dopamine-semiquinone or DsQ) adsorbed on the graphene nanoparticle surface is investigated using the ground state and linear-response time-dependent density functional [...] Read more.
Continuing the investigation started for dopamine (DA) and dopamine-o-quinone (DoQ) (see, the light absorption and charge transfer properties of the dopamine zwitterion (called dopamine-semiquinone or DsQ) adsorbed on the graphene nanoparticle surface is investigated using the ground state and linear-response time-dependent density functional theories, considering the ωB97X-D3BJ/def2-TZVPP level of theory. In terms of the strength of molecular adsorption on the surface, the DsQ form has 50% higher binding energy than that found in our previous work for the DA or DoQ cases (−20.24 kcal/mol vs. −30.41 kcal/mol). The results obtained for electronically excited states and UV-Vis absorption spectra show that the photochemical behavior of DsQ is more similar to DA than that observed for DoQ. Of the three systems analyzed, the DsQ-based complex shows the most active charge transfer (CT) phenomenon, both in terms of the number of CT-like states and the amount of charge transferred. Of the first thirty electronically excited states computed for the DsQ case, eleven are purely of the CT type, and nine are mixed CT and localized (or Frenkel) excitations. By varying the adsorption distance between the molecule and the surface vertically, the amount of charge transfer obtained for DA decreases significantly as the distance increases: for DoQ it remains stable, for DsQ there are states for which little change is observed, and for others, there is a significant change. Furthermore, the mechanistic compilation of the electron orbital diagrams of the individual components cannot describe in detail the nature of the excitations inside the complex. Full article
(This article belongs to the Special Issue Photochemistry in Molecular Clusters)
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15 pages, 9875 KiB  
Article
The Brown Sugar Mediated Carbon Quantum Dots as a Novel Fluorescence Sensor for Sensitive Detection of Gentamicin and Its Application in Foods
by Xinran Guo, Yanxin Guo and Xinyue Chen
Int. J. Mol. Sci. 2024, 25(4), 2143; https://doi.org/10.3390/ijms25042143 - 10 Feb 2024
Cited by 4 | Viewed by 1826
Abstract
In this work, a novel fluorescence sensing strategy was proposed for the detection of gentamicin based on fluorescent carbon quantum dots (CQDs) and gold nanoparticles (AuNPs). Herein, the CQDs were green-synthesized for the first time via a one-step hydrothermal method utilizing brown sugar [...] Read more.
In this work, a novel fluorescence sensing strategy was proposed for the detection of gentamicin based on fluorescent carbon quantum dots (CQDs) and gold nanoparticles (AuNPs). Herein, the CQDs were green-synthesized for the first time via a one-step hydrothermal method utilizing brown sugar as the precursor. In the presence of citrate-stabilized AuNPs, the fluorescence of CQDs was quenched efficiently. Gentamicin, on the other hand, had a higher affinity for AuNPs and was able to compete with CQDs for a preferential binding to AuNPs, which ultimately led to the aggregation of AuNPs and freeing of CQDs in solution, causing the fluorescence recovery of CQDs. Based on the above phenomenon, the concentrations of gentamicin could be ascertained by detecting the variations in fluorescence intensity of CQDs. This sensing strategy exhibited excellent selectivity in various antibiotics. At the same time, the method displayed outstanding sensitivity for gentamicin, which was successfully applied to real samples detection. Full article
(This article belongs to the Special Issue Photochemistry in Molecular Clusters)
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